#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oq3 s ARG 2 N 0.00 3.34 0.20 2.12 1.81 -1.26 -4.86 118.95 120.30 2oq3 s ARG 2 Ca 0.00 1.33 -0.10 0.00 -1.72 0.00 0.00 55.73 55.24 2oq3 s ARG 2 Cb 0.00 -4.18 0.21 0.00 -0.45 0.00 0.00 34.95 30.53 2oq3 s ARG 2 CO 0.00 -1.85 1.81 -0.07 -0.68 0.00 0.00 175.30 174.51 2oq3 h LEU 3 N 13.58 0.54 -2.17 2.53 -0.00 -1.11 -2.46 115.31 126.22 2oq3 h LEU 3 Ca -0.33 0.02 0.05 0.00 -0.00 0.00 0.00 57.88 57.63 2oq3 h LEU 3 Cb 1.16 -0.08 -0.01 0.00 -0.00 0.00 0.00 40.66 41.73 2oq3 h LEU 3 CO 1.05 0.36 0.28 0.28 -0.00 0.00 0.00 178.44 180.41 2oq3 h SER 4 N 0.67 0.00 -0.09 -0.43 0.02 -1.71 -0.30 113.55 111.71 2oq3 h SER 4 Ca 0.28 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.25 2oq3 h SER 4 Cb 0.15 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.68 2oq3 h SER 4 CO -0.16 0.00 0.07 -0.78 -1.14 0.00 0.00 176.83 174.82 2oq3 h ASP 5 N 0.00 0.00 0.50 3.07 3.58 -1.80 -2.45 116.42 119.33 2oq3 h ASP 5 Ca 0.08 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.53 2oq3 h ASP 5 Cb 0.65 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.70 2oq3 h ASP 5 CO -0.00 0.00 -0.83 -1.22 -2.88 0.00 0.00 179.24 174.31 2oq3 n TYR 6 N -4.28 0.24 -3.71 0.28 4.01 -0.12 -4.69 117.16 108.89 2oq3 n TYR 6 Ca -0.01 0.07 -0.35 0.00 -0.16 0.00 0.00 57.90 57.45 2oq3 n TYR 6 Cb 0.18 -0.41 -0.09 0.00 -0.31 0.00 0.00 39.34 38.72 2oq3 n TYR 6 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2oq3 s PHE 7 N -3.13 3.61 0.11 -0.72 0.40 -0.92 0.18 117.98 117.50 2oq3 s PHE 7 Ca 0.06 -2.92 -0.34 0.00 -0.60 0.00 0.00 56.93 53.13 2oq3 s PHE 7 Cb 0.15 -3.16 -0.13 0.00 0.51 0.00 0.00 43.02 40.39 2oq3 s PHE 7 CO 0.77 -0.77 1.56 -1.00 0.70 0.00 0.00 175.22 176.48 2oq3 h PRO 8 N 6.43 -0.66 0.00 0.24 0.13 -1.80 -3.46 132.00 132.88 2oq3 h PRO 8 Ca 0.07 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2oq3 h PRO 8 Cb 0.87 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.16 2oq3 h PRO 8 CO 0.77 -0.44 0.00 -1.91 -0.23 0.00 0.00 178.00 176.18 2oq3 n GLU 9 N -5.47 0.00 0.00 0.86 4.07 -1.26 -4.94 120.64 113.90 2oq3 n GLU 9 Ca -0.07 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.03 2oq3 n GLU 9 Cb 0.40 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.78 2oq3 n GLU 9 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 2oq3 n SER 10 N -1.39 0.16 0.00 4.31 7.64 -1.26 -4.20 113.62 118.87 2oq3 n SER 10 Ca 0.00 -0.86 0.02 0.00 1.01 0.00 0.00 58.87 59.03 2oq3 n SER 10 Cb 0.00 -0.08 0.10 0.00 -1.01 0.00 0.00 64.21 63.22 2oq3 n SER 10 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2oq3 n SER 11 N -0.22 0.00 -3.91 6.43 7.64 -1.26 -4.69 113.62 117.61 2oq3 n SER 11 Ca 0.00 -1.46 -0.17 0.00 1.01 0.00 0.00 58.87 58.24 2oq3 n SER 11 Cb 0.04 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.09 2oq3 n SER 11 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2oq3 s ILE 12 N -2.00 0.40 -0.08 0.44 -1.09 -1.25 -0.13 121.20 117.49 2oq3 s ILE 12 Ca 0.05 -0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.11 2oq3 s ILE 12 Cb 0.02 -0.40 0.05 0.00 -1.58 0.00 0.00 42.46 40.55 2oq3 s ILE 12 CO 0.04 0.16 0.52 -0.44 -1.23 0.00 0.00 174.94 173.99 2oq3 s SER 13 N 0.43 -0.48 -0.04 3.58 0.01 -0.21 -4.97 113.70 112.02 2oq3 s SER 13 Ca -0.05 0.62 0.05 0.00 1.31 0.00 0.00 55.95 57.88 2oq3 s SER 13 Cb -0.08 0.62 -0.01 0.00 0.21 0.00 0.00 66.02 66.76 2oq3 s SER 13 CO -0.00 -0.44 -0.20 -0.69 0.41 0.00 0.00 173.24 172.31 2oq3 s VAL 14 N -0.84 1.63 0.02 3.43 1.01 -1.26 -2.11 120.40 122.28 2oq3 s VAL 14 Ca -0.09 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2oq3 s VAL 14 Cb -0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 2oq3 s VAL 14 CO 0.06 0.46 -0.04 -0.63 0.00 0.00 0.00 175.10 174.95 2oq3 s ILE 15 N -0.11 0.19 0.13 2.22 1.01 -0.08 -4.95 121.20 119.61 2oq3 s ILE 15 Ca -0.02 -0.76 -0.14 0.00 0.00 0.00 0.00 60.65 59.74 2oq3 s ILE 15 Cb -0.11 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 2oq3 s ILE 15 CO 0.02 -0.36 1.56 -0.74 0.00 0.00 0.00 174.94 175.41 2oq3 h HIS 16 N 4.93 0.86 -1.63 3.97 -0.00 -1.94 -0.03 115.15 121.31 2oq3 h HIS 16 Ca -0.31 -0.17 0.06 0.00 -0.00 0.00 0.00 60.37 59.94 2oq3 h HIS 16 Cb 1.21 -0.22 -0.24 0.00 -0.00 0.00 0.00 27.41 28.16 2oq3 h HIS 16 CO 0.60 0.87 0.46 -1.54 -0.00 0.00 0.00 177.93 178.33 2oq3 s SER 17 N -6.34 -0.44 0.59 3.26 1.04 -1.26 -0.74 113.70 109.81 2oq3 s SER 17 Ca -0.13 0.65 -0.15 0.00 0.48 0.00 0.00 55.95 56.80 2oq3 s SER 17 Cb 0.10 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.78 2oq3 s SER 17 CO 0.81 -0.29 1.04 0.00 0.98 0.00 0.00 173.24 175.79 2oq3 s ALA 18 N -0.53 2.80 0.25 5.32 0.00 -1.26 -4.96 121.76 123.37 2oq3 s ALA 18 Ca -0.01 0.32 -0.06 0.00 0.00 0.00 0.00 51.96 52.21 2oq3 s ALA 18 Cb -0.02 -3.20 0.25 0.00 0.00 0.00 0.00 23.12 20.14 2oq3 s ALA 18 CO -0.01 -0.74 1.92 -0.22 0.00 0.00 0.00 175.76 176.71 2oq3 h LYS 19 N 0.41 1.30 0.00 0.00 1.63 -1.98 -3.47 116.57 114.47 2oq3 h LYS 19 Ca -0.47 -0.09 0.10 0.00 -0.85 0.00 0.00 60.65 59.35 2oq3 h LYS 19 Cb 1.21 -0.29 -0.02 0.00 -0.60 0.00 0.00 32.23 32.54 2oq3 h LYS 19 CO 0.58 0.88 0.40 -0.40 -3.45 0.00 0.00 179.45 177.46 2oq3 n ASP 20 N -4.38 -1.28 0.02 4.20 5.75 -1.26 -4.99 116.55 114.62 2oq3 n ASP 20 Ca 0.11 -1.69 0.03 0.00 -0.01 0.00 0.00 54.79 53.23 2oq3 n ASP 20 Cb 0.02 2.08 0.39 0.00 -1.03 0.00 0.00 41.12 42.58 2oq3 n ASP 20 CO 0.00 0.00 0.00 4.11 -0.11 0.00 0.00 177.20 181.20 2oq3 h TRP 21 N 1.71 0.47 0.14 2.11 5.08 -1.90 0.12 115.95 123.67 2oq3 h TRP 21 Ca -0.20 -0.01 -0.00 0.00 1.08 0.00 0.00 58.89 59.75 2oq3 h TRP 21 Cb 0.86 -0.15 -0.00 0.00 -3.00 0.00 0.00 29.16 26.87 2oq3 h TRP 21 CO 0.00 0.38 -0.08 1.96 -1.28 0.00 0.00 178.44 179.43 2oq3 h GLN 22 N 0.48 -0.19 -0.44 0.12 4.20 -1.96 -1.78 115.11 115.53 2oq3 h GLN 22 Ca 0.12 0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 2oq3 h GLN 22 Cb 0.11 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2oq3 h GLN 22 CO -0.01 -0.13 0.26 1.49 -0.67 0.00 0.00 178.83 179.77 2oq3 h GLU 23 N -0.20 0.60 -0.16 1.46 4.57 -1.81 -1.93 114.58 117.11 2oq3 h GLU 23 Ca -0.02 -0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 2oq3 h GLU 23 Cb 0.16 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 2oq3 h GLU 23 CO 0.02 0.42 -0.23 0.00 -1.18 0.00 0.00 179.01 178.05 2oq3 h ALA 24 N 1.68 1.33 -0.13 2.92 0.00 -0.30 0.26 119.26 125.02 2oq3 h ALA 24 Ca 0.16 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2oq3 h ALA 24 Cb -0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 2oq3 h ALA 24 CO -0.03 0.46 -0.05 0.82 0.00 0.00 0.00 179.25 180.45 2oq3 h ILE 25 N 0.25 1.31 -0.55 0.00 2.04 -0.60 -0.64 117.51 119.31 2oq3 h ILE 25 Ca 0.04 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.92 2oq3 h ILE 25 Cb 0.55 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.31 2oq3 h ILE 25 CO 0.04 0.30 0.27 -0.78 0.00 0.00 0.00 178.15 177.98 2oq3 h ASP 26 N -0.07 0.38 0.75 1.72 3.58 -0.76 0.72 116.42 122.74 2oq3 h ASP 26 Ca 0.03 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2oq3 h ASP 26 Cb 0.49 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 41.51 2oq3 h ASP 26 CO 0.02 0.26 0.00 -0.26 -2.88 0.00 0.00 179.24 176.37 2oq3 h PHE 27 N 0.52 0.00 0.00 0.28 0.04 -0.50 0.26 116.94 117.54 2oq3 h PHE 27 Ca 0.25 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.02 2oq3 h PHE 27 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.33 2oq3 h PHE 27 CO -0.11 0.00 -0.02 0.77 -0.60 0.00 0.00 178.31 178.35 2oq3 h SER 28 N 0.00 0.00 0.00 2.17 0.02 0.75 -3.41 113.55 113.09 2oq3 h SER 28 Ca 0.00 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2oq3 h SER 28 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2oq3 h SER 28 CO 0.00 0.00 -0.63 0.23 -1.14 0.00 0.00 176.83 175.29 2oq3 n MET 29 N -2.71 2.08 -0.15 3.45 2.81 -0.51 -3.98 117.12 118.11 2oq3 n MET 29 Ca 0.05 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.97 2oq3 n MET 29 Cb 0.49 -0.80 0.32 0.00 -0.71 0.00 0.00 33.22 32.52 2oq3 n MET 29 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 2oq3 h VAL 30 N 0.00 1.13 0.00 2.03 3.04 -0.77 0.16 116.25 121.84 2oq3 h VAL 30 Ca 0.00 -0.28 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 2oq3 h VAL 30 Cb 0.00 0.23 -0.00 0.00 -2.01 0.00 0.00 31.29 29.51 2oq3 h VAL 30 CO 0.00 0.15 -0.04 0.28 -1.01 0.00 0.00 177.57 176.95 2oq3 h SER 31 N 0.83 0.00 0.11 3.17 0.02 -1.84 0.93 113.55 116.76 2oq3 h SER 31 Ca 0.25 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.86 2oq3 h SER 31 Cb -0.01 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 2oq3 h SER 31 CO -0.06 0.04 -1.86 -0.07 -1.14 0.00 0.00 176.83 173.73 2oq3 h LEU 32 N 0.00 0.36 -0.84 5.07 3.38 -1.35 -3.38 115.31 118.55 2oq3 h LEU 32 Ca -0.00 -0.88 0.09 0.00 0.09 0.00 0.00 57.88 57.18 2oq3 h LEU 32 Cb 0.19 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2oq3 h LEU 32 CO 0.00 1.80 0.49 0.25 0.09 0.00 0.00 178.44 181.07 2oq3 h LEU 33 N -0.10 0.71 -1.70 1.67 5.85 -0.36 0.49 115.31 121.87 2oq3 h LEU 33 Ca -0.41 0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 2oq3 h LEU 33 Cb 1.92 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 42.85 2oq3 h LEU 33 CO 0.04 0.41 -0.14 -0.78 -0.34 0.00 0.00 178.44 177.63 2oq3 h ASP 34 N 0.83 0.00 -0.30 1.25 3.58 -1.02 -0.88 116.42 119.87 2oq3 h ASP 34 Ca 0.40 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.81 2oq3 h ASP 34 Cb 0.35 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.37 2oq3 h ASP 34 CO -0.24 0.14 0.00 0.29 -2.88 0.00 0.00 179.24 176.56 2oq3 n LYS 35 N -3.53 2.73 -3.02 0.28 4.01 -1.09 -4.97 118.16 112.56 2oq3 n LYS 35 Ca -0.01 -2.91 -0.21 0.00 -0.51 0.00 0.00 58.31 54.66 2oq3 n LYS 35 Cb 0.29 -1.85 0.01 0.00 -0.51 0.00 0.00 35.03 32.97 2oq3 n LYS 35 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 2oq3 n ASN 36 N -0.63 -4.91 0.27 4.39 3.02 -0.34 -4.87 115.26 112.19 2oq3 n ASN 36 Ca 0.25 -0.24 0.15 0.00 -0.03 0.00 0.00 54.58 54.71 2oq3 n ASN 36 Cb 0.94 -4.03 0.69 0.00 -0.61 0.00 0.00 39.78 36.77 2oq3 n ASN 36 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2oq3 h TYR 37 N -0.94 0.00 -4.56 3.10 -1.99 -1.11 -3.40 116.97 108.07 2oq3 h TYR 37 Ca -0.46 0.00 -0.32 0.00 2.00 0.00 0.00 58.73 59.96 2oq3 h TYR 37 Cb 1.32 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.92 2oq3 h TYR 37 CO 0.61 0.09 -0.47 0.96 -0.00 0.00 0.00 178.16 179.35 2oq3 s ILE 38 N -3.83 0.00 0.26 -2.88 -4.36 -1.25 -0.68 121.20 108.47 2oq3 s ILE 38 Ca -0.01 -1.89 0.09 0.00 -0.26 0.00 0.00 60.65 58.59 2oq3 s ILE 38 Cb 0.11 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.28 2oq3 s ILE 38 CO 0.56 0.00 0.02 -0.44 0.24 0.00 0.00 174.94 175.32 2oq3 s SER 39 N -3.24 4.65 0.48 4.36 0.01 0.18 -4.67 113.70 115.48 2oq3 s SER 39 Ca 0.37 -0.60 0.13 0.00 1.31 0.00 0.00 55.95 57.16 2oq3 s SER 39 Cb 0.04 -0.90 1.13 0.00 0.21 0.00 0.00 66.02 66.49 2oq3 s SER 39 CO 0.19 -0.00 2.11 -0.33 0.41 0.00 0.00 173.24 175.62 2oq3 h GLU 40 N 1.86 0.16 -0.39 12.44 5.08 -1.94 -0.62 114.58 131.17 2oq3 h GLU 40 Ca -0.45 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.96 2oq3 h GLU 40 Cb 1.25 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.44 2oq3 h GLU 40 CO 0.60 0.12 0.27 -0.97 -1.00 0.00 0.00 179.01 178.03 2oq3 h ASN 41 N 0.17 0.27 -0.55 1.42 -1.24 -1.94 -2.70 115.58 111.01 2oq3 h ASN 41 Ca 0.04 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.05 2oq3 h ASN 41 Cb -0.00 -0.06 -0.03 0.00 0.73 0.00 0.00 38.32 38.96 2oq3 h ASN 41 CO -0.01 0.18 0.32 0.22 -1.29 0.00 0.00 177.43 176.85 2oq3 h TYR 42 N 0.31 0.74 -0.03 0.67 3.20 -0.83 0.15 116.97 121.17 2oq3 h TYR 42 Ca 0.17 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.04 2oq3 h TYR 42 Cb 0.29 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 2oq3 h TYR 42 CO -0.00 0.52 -0.02 0.82 -1.64 0.00 0.00 178.16 177.84 2oq3 h ILE 43 N 0.74 0.95 0.00 1.81 5.03 -1.60 -2.87 117.51 121.57 2oq3 h ILE 43 Ca 0.20 0.00 -0.05 0.00 -0.12 0.00 0.00 64.86 64.89 2oq3 h ILE 43 Cb 0.01 0.95 -0.01 0.00 -3.03 0.00 0.00 36.82 34.74 2oq3 h ILE 43 CO -0.04 0.00 -0.23 -0.61 -0.68 0.00 0.00 178.15 176.59 2oq3 h GLN 44 N -0.02 0.00 -0.68 2.37 5.75 -1.24 -2.29 115.11 119.01 2oq3 h GLN 44 Ca 0.02 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 2oq3 h GLN 44 Cb 0.04 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.56 2oq3 h GLN 44 CO -0.04 0.23 0.38 0.00 -2.65 0.00 0.00 178.83 176.75 2oq3 h ALA 45 N 1.77 0.87 -0.21 3.38 0.00 -0.51 0.13 119.26 124.68 2oq3 h ALA 45 Ca -0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2oq3 h ALA 45 Cb 0.65 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2oq3 h ALA 45 CO 0.03 0.38 -0.11 0.82 0.00 0.00 0.00 179.25 180.38 2oq3 h ILE 46 N 0.93 1.31 -0.86 0.00 2.04 -1.33 -1.04 117.51 118.56 2oq3 h ILE 46 Ca 0.24 -1.18 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 2oq3 h ILE 46 Cb 0.03 1.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2oq3 h ILE 46 CO -0.04 0.36 0.53 0.11 0.00 0.00 0.00 178.15 179.11 2oq3 h LYS 47 N 0.15 1.16 -0.60 2.37 1.57 -1.15 0.87 116.57 120.95 2oq3 h LYS 47 Ca 0.05 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 2oq3 h LYS 47 Cb 0.60 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 2oq3 h LYS 47 CO 0.03 0.81 0.07 0.22 -0.57 0.00 0.00 179.45 180.01 2oq3 h ASP 48 N 1.18 0.95 -0.50 0.86 3.58 -0.67 0.11 116.42 121.94 2oq3 h ASP 48 Ca 0.31 -0.23 -0.04 0.00 0.42 0.00 0.00 57.03 57.49 2oq3 h ASP 48 Cb -0.06 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.71 2oq3 h ASP 48 CO -0.06 0.97 0.18 0.28 -2.88 0.00 0.00 179.24 177.72 2oq3 h SER 49 N 0.93 0.75 -0.26 2.28 0.02 -0.51 -0.47 113.55 116.28 2oq3 h SER 49 Ca 0.18 -0.11 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 2oq3 h SER 49 Cb 0.44 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 2oq3 h SER 49 CO 0.02 0.70 -0.21 0.74 -1.14 0.00 0.00 176.83 176.94 2oq3 h THR 50 N 0.79 1.27 -0.55 -2.27 2.02 -0.06 -2.42 112.91 111.70 2oq3 h THR 50 Ca 0.18 -1.30 -0.05 0.00 0.77 0.00 0.00 66.41 66.01 2oq3 h THR 50 Cb 0.22 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.81 2oq3 h THR 50 CO -0.01 0.43 0.13 0.40 0.37 0.00 0.00 175.52 176.84 2oq3 h ILE 51 N 0.64 1.25 -0.32 3.11 2.04 -0.52 -1.76 117.51 121.95 2oq3 h ILE 51 Ca 0.09 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 65.01 2oq3 h ILE 51 Cb 0.70 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2oq3 h ILE 51 CO 0.05 0.32 -0.05 0.78 0.00 0.00 0.00 178.15 179.26 2oq3 h ASN 52 N 0.78 0.48 0.00 1.72 2.35 -0.65 -3.42 115.58 116.83 2oq3 h ASN 52 Ca 0.17 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 2oq3 h ASN 52 Cb 0.35 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.59 2oq3 h ASN 52 CO 0.00 0.58 0.00 -3.20 -1.65 0.00 0.00 177.43 173.17 2oq3 n ASN 53 N -4.25 -0.25 0.00 5.81 5.15 -0.95 -5.10 115.26 115.67 2oq3 n ASN 53 Ca 0.01 0.08 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 2oq3 n ASN 53 Cb 0.27 0.47 0.00 0.00 -0.53 0.00 0.00 39.78 40.00 2oq3 n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2oq3 n GLY 54 N -0.04 -0.00 3.64 8.20 0.00 -0.66 -4.55 105.19 111.78 2oq3 n GLY 54 Ca 0.00 -1.78 -0.64 0.00 0.00 0.00 0.00 46.02 43.60 2oq3 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2oq3 n PRO 55 N -1.64 0.27 0.09 1.61 -0.02 -1.26 -3.96 135.00 130.09 2oq3 n PRO 55 Ca 0.00 0.09 0.13 0.00 -2.02 0.00 0.00 63.50 61.70 2oq3 n PRO 55 Cb 0.00 -1.66 0.45 0.00 -0.02 0.00 0.00 33.50 32.27 2oq3 n PRO 55 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2oq3 n TYR 56 N 5.14 0.77 -3.64 6.00 4.02 -1.26 -4.66 117.16 123.52 2oq3 n TYR 56 Ca 0.35 0.24 -0.29 0.00 -0.01 0.00 0.00 57.90 58.19 2oq3 n TYR 56 Cb -0.01 -0.89 -0.15 0.00 -0.02 0.00 0.00 39.34 38.27 2oq3 n TYR 56 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 2oq3 s TYR 57 N -3.12 0.86 0.00 -0.72 2.02 -1.26 -5.06 117.35 110.07 2oq3 s TYR 57 Ca 0.10 -1.07 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 2oq3 s TYR 57 Cb 0.13 -1.15 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 2oq3 s TYR 57 CO 0.54 -0.77 -0.02 0.42 -1.57 0.00 0.00 175.55 174.15 2oq3 s ILE 58 N 1.91 0.15 0.00 2.71 -1.09 -1.26 -2.37 121.20 121.25 2oq3 s ILE 58 Ca 0.07 -0.16 0.00 0.00 -2.23 0.00 0.00 60.65 58.33 2oq3 s ILE 58 Cb -0.17 -0.15 0.00 0.00 -1.58 0.00 0.00 42.46 40.56 2oq3 s ILE 58 CO -0.25 -0.00 0.00 0.18 -1.23 0.00 0.00 174.94 173.64 2oq3 n LEU 59 N 2.90 0.00 -3.47 2.97 4.32 -0.67 -4.95 117.00 118.11 2oq3 n LEU 59 Ca -0.13 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.75 2oq3 n LEU 59 Cb 0.59 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.37 2oq3 n LEU 59 CO 0.25 0.00 0.45 0.00 -1.22 0.00 0.00 177.39 176.88 2oq3 s ALA 60 N -1.24 -1.61 -0.31 -1.18 0.00 -1.24 -5.04 121.76 111.15 2oq3 s ALA 60 Ca 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 51.96 52.09 2oq3 s ALA 60 Cb 0.00 0.81 -0.13 0.00 0.00 0.00 0.00 23.12 23.80 2oq3 s ALA 60 CO 0.00 -0.78 2.01 -2.30 0.00 0.00 0.00 175.76 174.69 2oq3 n PRO 61 N -0.37 1.16 -0.73 0.00 -0.02 -1.26 -1.03 135.00 132.75 2oq3 n PRO 61 Ca -0.15 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2oq3 n PRO 61 Cb 0.64 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2oq3 n PRO 61 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2oq3 n GLY 62 N 5.60 0.61 2.97 -1.23 0.00 -1.26 -4.96 105.19 106.92 2oq3 n GLY 62 Ca 0.35 -0.20 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 2oq3 n GLY 62 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2oq3 s VAL 63 N -2.00 1.01 0.34 1.61 1.01 -0.20 -0.69 120.40 121.48 2oq3 s VAL 63 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.66 2oq3 s VAL 63 Cb 0.00 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.35 2oq3 s VAL 63 CO 0.00 0.34 0.03 0.00 0.00 0.00 0.00 175.10 175.47 2oq3 s ALA 64 N 1.00 2.57 -0.40 5.51 0.00 -0.43 -1.66 121.76 128.34 2oq3 s ALA 64 Ca -0.09 -2.11 0.08 0.00 0.00 0.00 0.00 51.96 49.85 2oq3 s ALA 64 Cb -0.15 0.48 0.27 0.00 0.00 0.00 0.00 23.12 23.73 2oq3 s ALA 64 CO -0.00 -0.24 0.63 -0.12 0.00 0.00 0.00 175.76 176.03 2oq3 n MET 65 N -0.75 0.77 -1.64 0.00 0.00 -1.00 -2.39 117.12 112.12 2oq3 n MET 65 Ca -0.03 -2.99 -0.38 0.00 0.00 0.00 0.00 57.70 54.30 2oq3 n MET 65 Cb 0.66 -1.32 0.05 0.00 0.00 0.00 0.00 33.22 32.61 2oq3 n MET 65 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2oq3 n PRO 66 N 1.22 0.98 0.00 2.12 -0.02 -1.10 -4.74 135.00 133.45 2oq3 n PRO 66 Ca 0.19 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2oq3 n PRO 66 Cb 0.57 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 2oq3 n PRO 66 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2oq3 n HIS 67 N -1.71 0.00 -4.24 6.00 -0.00 -1.26 -2.33 115.22 111.68 2oq3 n HIS 67 Ca 0.14 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.72 2oq3 n HIS 67 Cb 0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.36 2oq3 n HIS 67 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2oq3 s ALA 68 N -2.00 1.35 0.54 1.57 0.00 -1.26 -4.83 121.76 117.12 2oq3 s ALA 68 Ca 0.00 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.12 2oq3 s ALA 68 Cb 0.00 0.76 -0.08 0.00 0.00 0.00 0.00 23.12 23.80 2oq3 s ALA 68 CO 0.00 -0.39 0.86 0.54 0.00 0.00 0.00 175.76 176.77 2oq3 n ARG 69 N -0.27 0.93 -0.31 0.00 1.74 -1.26 -4.86 116.66 112.63 2oq3 n ARG 69 Ca -0.04 0.35 0.15 0.00 -0.77 0.00 0.00 57.85 57.54 2oq3 n ARG 69 Cb 0.64 -2.00 0.34 0.00 -1.02 0.00 0.00 32.46 30.42 2oq3 n ARG 69 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2oq3 h PRO 70 N 0.75 0.39 0.00 5.56 0.11 -1.93 -0.71 132.00 136.17 2oq3 h PRO 70 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2oq3 h PRO 70 Cb 1.37 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2oq3 h PRO 70 CO 0.52 0.26 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 2oq3 n GLU 71 N -5.04 0.12 0.00 1.05 0.28 -1.26 -1.03 120.64 114.76 2oq3 n GLU 71 Ca 0.24 0.55 0.15 0.00 -0.16 0.00 0.00 57.16 57.93 2oq3 n GLU 71 Cb 0.71 -1.85 0.85 0.00 1.43 0.00 0.00 31.44 32.58 2oq3 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2oq3 n GLY 73 N 0.86 0.79 3.76 0.00 0.00 -0.83 -2.57 105.19 107.20 2oq3 n GLY 73 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2oq3 n GLY 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2oq3 s ALA 74 N -1.15 2.75 0.00 4.61 0.00 -0.20 -0.64 121.76 127.13 2oq3 s ALA 74 Ca 0.00 1.08 0.00 0.00 0.00 0.00 0.00 51.96 53.04 2oq3 s ALA 74 Cb 0.00 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2oq3 s ALA 74 CO 0.00 -1.07 0.00 1.28 0.00 0.00 0.00 175.76 175.97 2oq3 n LEU 75 N -1.11 0.46 -3.89 0.00 4.77 0.15 -4.82 117.00 112.56 2oq3 n LEU 75 Ca 0.11 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.99 2oq3 n LEU 75 Cb 0.48 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.48 2oq3 n LEU 75 CO 0.48 0.08 -0.15 -0.54 -1.33 0.00 0.00 177.39 175.92 2oq3 s LYS 76 N -1.43 0.70 -0.06 3.23 1.02 -0.46 -4.71 119.74 118.03 2oq3 s LYS 76 Ca 0.00 -0.80 -0.19 0.00 0.02 0.00 0.00 55.97 54.99 2oq3 s LYS 76 Cb 0.00 0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 37.55 2oq3 s LYS 76 CO 0.00 -0.20 0.55 0.99 -0.92 0.00 0.00 175.35 175.77 2oq3 s THR 77 N -3.05 5.05 0.02 2.17 2.01 -1.26 -4.01 115.64 116.56 2oq3 s THR 77 Ca -0.01 1.12 -0.17 0.00 0.31 0.00 0.00 61.69 62.94 2oq3 s THR 77 Cb 0.01 -3.88 0.06 0.00 0.01 0.00 0.00 72.50 68.70 2oq3 s THR 77 CO -0.07 0.37 0.76 0.61 -0.69 0.00 0.00 174.62 175.61 2oq3 n GLY 78 N 2.82 0.48 3.50 4.40 0.00 -0.07 -4.95 105.19 111.37 2oq3 n GLY 78 Ca -0.07 -0.99 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 2oq3 n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2oq3 s MET 79 N -2.01 1.51 0.14 1.61 -1.94 0.13 -0.66 119.30 118.07 2oq3 s MET 79 Ca 0.18 -1.39 -0.12 0.00 -1.71 0.00 0.00 55.69 52.65 2oq3 s MET 79 Cb -0.01 0.43 0.01 0.00 2.01 0.00 0.00 34.83 37.27 2oq3 s MET 79 CO 0.00 -0.61 0.34 -1.54 -0.01 0.00 0.00 175.02 173.20 2oq3 s SER 80 N -3.07 -0.06 -0.12 3.03 1.04 -0.65 -4.52 113.70 109.35 2oq3 s SER 80 Ca 0.27 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 56.04 2oq3 s SER 80 Cb 0.01 0.45 0.06 0.00 0.10 0.00 0.00 66.02 66.64 2oq3 s SER 80 CO 0.11 -0.88 0.25 -0.22 0.98 0.00 0.00 173.24 173.48 2oq3 s LEU 81 N -2.89 -0.10 0.01 2.42 2.96 0.81 -0.51 118.68 121.38 2oq3 s LEU 81 Ca 0.09 0.55 0.01 0.00 -0.22 0.00 0.00 54.13 54.57 2oq3 s LEU 81 Cb 0.02 0.66 -0.01 0.00 0.50 0.00 0.00 46.19 47.37 2oq3 s LEU 81 CO -0.06 -0.22 -0.05 -0.89 -1.32 0.00 0.00 176.35 173.81 2oq3 s THR 82 N 2.12 0.33 -0.04 3.68 2.01 -0.11 -1.04 115.64 122.59 2oq3 s THR 82 Ca -0.01 -0.48 -0.02 0.00 0.31 0.00 0.00 61.69 61.49 2oq3 s THR 82 Cb -0.12 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.08 2oq3 s THR 82 CO -0.08 -0.11 0.09 -0.22 -0.69 0.00 0.00 174.62 173.60 2oq3 s LEU 83 N -0.64 1.03 -0.27 4.42 0.20 -0.90 -0.99 118.68 121.54 2oq3 s LEU 83 Ca -0.04 0.17 -0.07 0.00 0.69 0.00 0.00 54.13 54.88 2oq3 s LEU 83 Cb -0.05 0.16 -0.01 0.00 -0.43 0.00 0.00 46.19 45.86 2oq3 s LEU 83 CO -0.00 -0.12 0.07 -0.76 -0.29 0.00 0.00 176.35 175.25 2oq3 s LEU 84 N 0.95 3.56 0.39 -0.68 2.01 0.29 -0.90 118.68 124.31 2oq3 s LEU 84 Ca -0.08 -0.40 0.06 0.00 0.01 0.00 0.00 54.13 53.72 2oq3 s LEU 84 Cb -0.10 -1.90 0.81 0.00 0.01 0.00 0.00 46.19 45.01 2oq3 s LEU 84 CO -0.04 -0.09 2.03 -0.33 1.01 0.00 0.00 176.35 178.93 2oq3 h GLU 85 N 8.23 0.61 0.00 1.70 5.08 -0.14 -1.82 114.58 128.25 2oq3 h GLU 85 Ca -0.36 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2oq3 h GLU 85 Cb 1.16 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2oq3 h GLU 85 CO 0.59 0.41 -0.88 1.04 -1.00 0.00 0.00 179.01 179.16 2oq3 n GLN 86 N -4.47 0.04 -0.98 2.33 6.02 0.08 -5.03 117.38 115.38 2oq3 n GLN 86 Ca 0.05 -0.01 0.13 0.00 -0.01 0.00 0.00 57.00 57.17 2oq3 n GLN 86 Cb 0.09 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 2oq3 n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2oq3 n GLY 87 N 1.48 -1.69 3.28 1.08 0.00 -0.69 -4.99 105.19 103.66 2oq3 n GLY 87 Ca 0.04 -1.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.69 2oq3 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2oq3 s VAL 88 N -1.83 0.10 -0.26 1.61 0.11 -0.44 -4.49 120.40 115.21 2oq3 s VAL 88 Ca 0.00 -1.05 -0.06 0.00 -2.93 0.00 0.00 61.98 57.94 2oq3 s VAL 88 Cb 0.00 -1.42 -0.01 0.00 -1.53 0.00 0.00 36.38 33.43 2oq3 s VAL 88 CO 0.00 -0.46 0.03 -0.47 -3.33 0.00 0.00 175.10 170.87 2oq3 s TYR 89 N -3.87 3.07 0.50 1.54 6.14 -1.26 -0.66 117.35 122.80 2oq3 s TYR 89 Ca 0.07 -0.82 -0.17 0.00 0.64 0.00 0.00 57.07 56.79 2oq3 s TYR 89 Cb 0.03 -2.20 -0.08 0.00 0.42 0.00 0.00 41.96 40.14 2oq3 s TYR 89 CO -0.08 -0.51 0.98 -0.06 0.64 0.00 0.00 175.55 176.52 2oq3 s PHE 90 N 1.52 3.42 -1.63 4.97 0.40 -1.26 -4.47 117.98 120.93 2oq3 s PHE 90 Ca 0.05 1.49 0.29 0.00 -0.60 0.00 0.00 56.93 58.16 2oq3 s PHE 90 Cb -0.16 -2.81 1.58 0.00 0.51 0.00 0.00 43.02 42.14 2oq3 s PHE 90 CO 0.01 -0.34 2.04 -0.35 0.70 0.00 0.00 175.22 177.28 2oq3 n PRO 91 N -1.43 0.60 -2.07 0.24 -0.04 -1.26 -3.98 135.00 127.06 2oq3 n PRO 91 Ca 0.07 0.01 -0.01 0.00 -0.04 0.00 0.00 63.50 63.52 2oq3 n PRO 91 Cb 0.54 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.54 2oq3 n PRO 91 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2oq3 n GLY 92 N 1.06 1.39 3.11 0.55 0.00 -1.26 -4.94 105.19 105.10 2oq3 n GLY 92 Ca 0.17 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 2oq3 n GLY 92 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2oq3 s ASN 93 N -1.99 1.00 0.39 1.61 2.47 -1.26 -4.19 114.94 112.98 2oq3 s ASN 93 Ca 0.17 -0.74 0.12 0.00 0.42 0.00 0.00 52.86 52.83 2oq3 s ASN 93 Cb 0.30 0.06 0.79 0.00 -1.45 0.00 0.00 41.25 40.95 2oq3 s ASN 93 CO -0.08 -0.31 1.88 -0.78 -3.72 0.00 0.00 177.10 174.08 2oq3 h ASP 94 N 3.85 0.05 -5.15 -4.21 3.58 -1.99 -3.46 116.42 109.10 2oq3 h ASP 94 Ca -0.36 -0.01 -0.16 0.00 0.42 0.00 0.00 57.03 56.91 2oq3 h ASP 94 Cb 1.19 -0.01 -0.15 0.00 1.72 0.00 0.00 39.33 42.07 2oq3 h ASP 94 CO 0.51 0.34 -0.67 -1.83 -2.88 0.00 0.00 179.24 174.70 2oq3 s GLU 95 N -4.40 0.76 0.35 0.28 1.03 -1.26 -5.14 118.70 110.33 2oq3 s GLU 95 Ca -0.04 -1.32 -0.26 0.00 0.03 0.00 0.00 54.97 53.38 2oq3 s GLU 95 Cb 0.15 0.13 -0.09 0.00 -0.80 0.00 0.00 34.13 33.51 2oq3 s GLU 95 CO 0.72 -0.14 1.09 -1.25 -1.33 0.00 0.00 175.26 174.36 2oq3 s PRO 96 N -3.94 4.32 0.05 -4.83 0.04 -1.26 -4.65 135.00 124.72 2oq3 s PRO 96 Ca 0.13 1.69 -0.24 0.00 0.04 0.00 0.00 61.00 62.63 2oq3 s PRO 96 Cb 0.07 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.74 2oq3 s PRO 96 CO -0.05 -0.05 0.72 0.42 0.04 0.00 0.00 177.00 178.08 2oq3 s ILE 97 N -1.42 4.74 -0.19 0.56 -1.09 0.16 -4.13 121.20 119.83 2oq3 s ILE 97 Ca 0.53 1.52 0.11 0.00 -2.23 0.00 0.00 60.65 60.58 2oq3 s ILE 97 Cb -0.28 -4.06 -0.15 0.00 -1.58 0.00 0.00 42.46 36.39 2oq3 s ILE 97 CO 0.35 0.40 0.32 0.29 -1.23 0.00 0.00 174.94 175.07 2oq3 n LYS 98 N 2.62 1.49 -3.75 2.79 5.02 0.13 -1.33 118.16 125.14 2oq3 n LYS 98 Ca -0.04 -0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.06 2oq3 n LYS 98 Cb 0.50 -1.16 -0.12 0.00 -0.02 0.00 0.00 35.03 34.23 2oq3 n LYS 98 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2oq3 s LEU 99 N -3.30 0.61 -0.01 -0.35 2.96 -0.92 -0.54 118.68 117.13 2oq3 s LEU 99 Ca -0.01 0.59 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 2oq3 s LEU 99 Cb 0.07 0.92 0.01 0.00 0.50 0.00 0.00 46.19 47.70 2oq3 s LEU 99 CO 0.45 -0.13 -0.00 -0.76 -1.32 0.00 0.00 176.35 174.58 2oq3 s LEU 100 N 0.72 1.74 -0.24 -0.68 1.02 -0.16 -1.32 118.68 119.76 2oq3 s LEU 100 Ca -0.05 -0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.08 2oq3 s LEU 100 Cb -0.06 -0.09 0.03 0.00 0.02 0.00 0.00 46.19 46.09 2oq3 s LEU 100 CO -0.05 -0.02 -0.09 -0.63 0.02 0.00 0.00 176.35 175.58 2oq3 s ILE 101 N 0.29 2.63 0.52 -0.59 1.01 -1.00 -0.93 121.20 123.12 2oq3 s ILE 101 Ca -0.03 -1.09 -0.18 0.00 0.00 0.00 0.00 60.65 59.36 2oq3 s ILE 101 Cb -0.04 -2.32 -0.07 0.00 0.01 0.00 0.00 42.46 40.03 2oq3 s ILE 101 CO -0.01 0.23 1.02 -0.83 0.00 0.00 0.00 174.94 175.35 2oq3 s GLY 102 N 1.29 2.26 -0.06 6.18 0.00 0.33 -2.72 107.32 114.61 2oq3 s GLY 102 Ca -0.00 0.40 -0.05 0.00 0.00 0.00 0.00 44.72 45.07 2oq3 s GLY 102 CO -0.06 0.70 0.16 -2.27 0.00 0.00 0.00 173.10 171.63 2oq3 s LEU 103 N -3.89 1.24 0.06 0.66 0.20 -0.98 -1.64 118.68 114.33 2oq3 s LEU 103 Ca 0.63 0.32 0.05 0.00 0.69 0.00 0.00 54.13 55.83 2oq3 s LEU 103 Cb -0.13 0.52 -0.03 0.00 -0.43 0.00 0.00 46.19 46.12 2oq3 s LEU 103 CO 0.27 -0.08 -0.15 -0.94 -0.29 0.00 0.00 176.35 175.17 2oq3 s SER 104 N 0.33 1.73 -0.10 3.68 1.04 0.16 -4.39 113.70 116.15 2oq3 s SER 104 Ca -0.02 -0.55 -0.08 0.00 0.48 0.00 0.00 55.95 55.79 2oq3 s SER 104 Cb -0.03 -0.08 0.03 0.00 0.10 0.00 0.00 66.02 66.04 2oq3 s SER 104 CO -0.01 -0.02 0.25 0.00 0.98 0.00 0.00 173.24 174.44 2oq3 s ALA 105 N -1.07 -0.60 -0.02 5.32 0.00 -1.26 -0.89 121.76 123.24 2oq3 s ALA 105 Ca 0.00 0.81 0.28 0.00 0.00 0.00 0.00 51.96 53.05 2oq3 s ALA 105 Cb -0.09 -0.49 0.95 0.00 0.00 0.00 0.00 23.12 23.49 2oq3 s ALA 105 CO 0.02 -0.15 1.83 0.00 0.00 0.00 0.00 175.76 177.46 2oq3 h ALA 106 N 6.25 0.99 -2.67 0.00 0.00 -1.85 -3.39 119.26 118.59 2oq3 h ALA 106 Ca -0.31 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2oq3 h ALA 106 Cb 1.18 -0.01 -0.19 0.00 0.00 0.00 0.00 17.79 18.77 2oq3 h ALA 106 CO 0.36 0.11 -0.52 0.34 0.00 0.00 0.00 179.25 179.54 2oq3 s ASP 107 N -5.98 0.13 0.43 0.00 2.15 -1.26 -4.93 116.67 107.20 2oq3 s ASP 107 Ca 0.02 -0.42 0.10 0.00 0.43 0.00 0.00 52.55 52.68 2oq3 s ASP 107 Cb 0.08 0.21 0.95 0.00 -0.30 0.00 0.00 42.92 43.87 2oq3 s ASP 107 CO 0.61 -0.45 2.06 0.00 -0.17 0.00 0.00 175.17 177.21 2oq3 h ALA 108 N 3.91 1.80 0.01 3.66 0.00 -1.99 -0.54 119.26 126.11 2oq3 h ALA 108 Ca -0.32 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.37 2oq3 h ALA 108 Cb 1.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2oq3 h ALA 108 CO 0.47 0.16 -0.92 0.22 0.00 0.00 0.00 179.25 179.18 2oq3 h ASP 109 N 0.45 0.09 -0.59 0.00 3.58 -1.98 -1.38 116.42 116.59 2oq3 h ASP 109 Ca 0.15 -0.08 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2oq3 h ASP 109 Cb 0.04 -0.03 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 2oq3 h ASP 109 CO -0.03 0.96 0.20 0.28 -2.88 0.00 0.00 179.24 177.76 2oq3 h SER 110 N 0.03 0.88 -0.26 2.28 0.02 -1.75 -0.16 113.55 114.59 2oq3 h SER 110 Ca -0.03 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2oq3 h SER 110 Cb 1.59 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.89 2oq3 h SER 110 CO 0.13 0.83 0.15 -0.74 -1.14 0.00 0.00 176.83 176.05 2oq3 h HIS 111 N 0.92 0.27 -0.02 3.45 -0.00 -0.92 -0.92 115.15 117.94 2oq3 h HIS 111 Ca 0.21 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.60 2oq3 h HIS 111 Cb 0.26 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.57 2oq3 h HIS 111 CO 0.02 0.16 -0.05 0.82 -0.00 0.00 0.00 177.93 178.88 2oq3 h ILE 112 N 0.30 0.86 -0.94 6.26 1.08 -0.75 0.87 117.51 125.19 2oq3 h ILE 112 Ca 0.10 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.60 2oq3 h ILE 112 Cb 0.01 0.86 -0.05 0.00 -3.07 0.00 0.00 36.82 34.57 2oq3 h ILE 112 CO -0.06 0.00 0.62 1.23 -0.69 0.00 0.00 178.15 179.25 2oq3 h GLY 113 N -0.08 1.34 0.60 5.37 0.00 -0.84 0.54 103.07 110.00 2oq3 h GLY 113 Ca 0.03 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 2oq3 h GLY 113 CO -0.07 0.42 -0.08 0.00 0.00 0.00 0.00 176.54 176.81 2oq3 h ALA 114 N 1.44 -0.22 -0.60 3.60 0.00 -0.77 -2.59 119.26 120.13 2oq3 h ALA 114 Ca 0.37 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.20 2oq3 h ALA 114 Cb -0.02 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.76 2oq3 h ALA 114 CO -0.10 -0.42 0.08 0.82 0.00 0.00 0.00 179.25 179.62 2oq3 h ILE 115 N -0.62 0.58 0.00 0.00 1.08 -0.61 0.78 117.51 118.72 2oq3 h ILE 115 Ca -0.02 -0.07 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2oq3 h ILE 115 Cb 0.46 0.36 0.00 0.00 -3.07 0.00 0.00 36.82 34.58 2oq3 h ILE 115 CO 0.04 0.04 0.00 0.00 -0.69 0.00 0.00 178.15 177.53 2oq3 n GLN 116 N -5.19 0.02 -0.11 2.37 1.13 0.16 -0.89 117.38 114.87 2oq3 n GLN 116 Ca 0.09 0.32 -0.24 0.00 -1.94 0.00 0.00 57.00 55.22 2oq3 n GLN 116 Cb 0.34 -1.50 -0.11 0.00 0.11 0.00 0.00 30.24 29.08 2oq3 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2oq3 n ALA 117 N -1.47 0.97 0.21 -1.58 0.00 0.11 -4.45 120.51 114.29 2oq3 n ALA 117 Ca 0.03 -0.74 0.09 0.00 0.00 0.00 0.00 53.44 52.81 2oq3 n ALA 117 Cb 0.11 -0.31 0.40 0.00 0.00 0.00 0.00 19.45 19.64 2oq3 n ALA 117 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2oq3 h LEU 118 N -0.84 0.00 -1.97 0.00 8.10 -0.38 -1.46 115.31 118.77 2oq3 h LEU 118 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.49 2oq3 h LEU 118 Cb 1.51 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 41.73 2oq3 h LEU 118 CO -0.25 0.27 -0.05 0.77 -4.11 0.00 0.00 178.44 175.07 2oq3 h SER 119 N 0.00 0.00 0.66 0.17 4.64 -1.26 0.07 113.55 117.83 2oq3 h SER 119 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2oq3 h SER 119 Cb 0.83 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.92 2oq3 h SER 119 CO 0.04 0.05 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.67 2oq3 h GLU 120 N 0.00 0.00 0.00 4.77 5.08 -1.48 -2.69 114.58 120.26 2oq3 h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2oq3 h GLU 120 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2oq3 h GLU 120 CO 0.01 0.04 0.00 1.28 -1.00 0.00 0.00 179.01 179.34 2oq3 n LEU 121 N -3.22 0.06 0.10 1.33 4.77 -0.21 -4.58 117.00 115.25 2oq3 n LEU 121 Ca -0.01 0.07 0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2oq3 n LEU 121 Cb 0.25 -0.44 0.44 0.00 -2.33 0.00 0.00 43.42 41.34 2oq3 n LEU 121 CO 0.27 -0.44 0.81 0.18 -1.33 0.00 0.00 177.39 176.88 2oq3 n LEU 122 N -2.29 0.47 -2.12 2.23 4.77 -0.16 -1.95 117.00 117.95 2oq3 n LEU 122 Ca 0.00 0.62 -0.15 0.00 -0.03 0.00 0.00 56.01 56.45 2oq3 n LEU 122 Cb 0.00 -0.57 0.24 0.00 -2.33 0.00 0.00 43.42 40.76 2oq3 n LEU 122 CO 0.00 -0.50 1.17 0.00 -1.33 0.00 0.00 177.39 176.73 2oq3 s GLU 124 N -3.16 1.29 0.57 0.00 0.41 -0.82 -4.99 118.70 111.99 2oq3 s GLU 124 Ca 0.56 -0.76 0.26 0.00 -0.41 0.00 0.00 54.97 54.61 2oq3 s GLU 124 Cb 0.46 -2.38 1.65 0.00 -1.78 0.00 0.00 34.13 32.07 2oq3 s GLU 124 CO 0.12 -0.60 2.22 1.05 -0.49 0.00 0.00 175.26 177.56 2oq3 h GLU 125 N 8.06 0.00 -0.21 1.61 4.11 -1.85 -0.58 114.58 125.73 2oq3 h GLU 125 Ca -0.18 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.24 2oq3 h GLU 125 Cb 1.09 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 2oq3 h GLU 125 CO 0.39 0.01 0.09 0.93 0.07 0.00 0.00 179.01 180.49 2oq3 h GLU 126 N 0.00 0.30 -0.39 1.06 4.39 -1.95 -2.33 114.58 115.67 2oq3 h GLU 126 Ca -0.00 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2oq3 h GLU 126 Cb 0.02 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2oq3 h GLU 126 CO 0.00 0.35 0.04 0.82 -1.16 0.00 0.00 179.01 179.07 2oq3 h ILE 127 N 0.19 1.25 -0.73 3.13 5.03 -1.56 -2.84 117.51 121.98 2oq3 h ILE 127 Ca 0.07 -0.90 0.07 0.00 -0.12 0.00 0.00 64.86 63.98 2oq3 h ILE 127 Cb 0.16 1.09 -0.06 0.00 -3.03 0.00 0.00 36.82 34.97 2oq3 h ILE 127 CO -0.01 0.31 0.41 -0.07 -0.68 0.00 0.00 178.15 178.11 2oq3 h LEU 128 N 0.49 0.60 -0.49 1.44 3.38 -0.91 0.99 115.31 120.80 2oq3 h LEU 128 Ca 0.11 0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 2oq3 h LEU 128 Cb 0.40 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2oq3 h LEU 128 CO 0.01 0.37 -0.16 -0.33 0.09 0.00 0.00 178.44 178.42 2oq3 h GLU 129 N 0.73 0.98 -0.12 1.13 5.08 -1.43 0.71 114.58 121.65 2oq3 h GLU 129 Ca 0.34 -0.39 -0.12 0.00 -1.00 0.00 0.00 59.36 58.19 2oq3 h GLU 129 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2oq3 h GLU 129 CO -0.21 1.07 -0.45 1.96 -1.00 0.00 0.00 179.01 180.38 2oq3 h GLN 130 N 0.84 0.29 0.40 2.33 4.20 -0.96 -0.34 115.11 121.87 2oq3 h GLN 130 Ca 0.12 -0.15 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2oq3 h GLN 130 Cb 0.73 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2oq3 h GLN 130 CO 0.06 0.69 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.64 2oq3 h LEU 131 N 0.24 -0.46 -2.12 1.46 3.38 -0.79 -3.04 115.31 113.99 2oq3 h LEU 131 Ca 0.02 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 57.95 2oq3 h LEU 131 Cb 0.89 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2oq3 h LEU 131 CO 0.07 -0.05 0.29 -0.07 0.09 0.00 0.00 178.44 178.77 2oq3 h LEU 132 N -0.96 0.00 -2.48 1.67 3.38 -0.52 0.58 115.31 116.99 2oq3 h LEU 132 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2oq3 h LEU 132 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 2oq3 h LEU 132 CO 0.09 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.97 2oq3 n THR 133 N -3.85 0.68 -1.60 0.22 -2.24 -0.17 -4.97 114.28 102.35 2oq3 n THR 133 Ca 0.04 -0.84 -0.44 0.00 -2.27 0.00 0.00 64.05 60.54 2oq3 n THR 133 Cb 0.44 0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 69.44 2oq3 n THR 133 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oq3 n ALA 134 N 1.43 1.58 0.22 6.98 0.00 0.19 -4.86 120.51 126.05 2oq3 n ALA 134 Ca 0.20 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.63 2oq3 n ALA 134 Cb 0.58 -2.80 0.49 0.00 0.00 0.00 0.00 19.45 17.73 2oq3 n ALA 134 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2oq3 h SER 135 N 13.44 0.00 -5.10 0.00 0.02 -1.91 -3.47 113.55 116.53 2oq3 h SER 135 Ca -0.41 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 2oq3 h SER 135 Cb 1.25 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.65 2oq3 h SER 135 CO 0.96 0.24 -0.21 -0.44 -1.14 0.00 0.00 176.83 176.24 2oq3 s SER 136 N -6.26 -0.09 0.32 3.07 0.01 -1.26 -5.05 113.70 104.44 2oq3 s SER 136 Ca -0.00 -0.41 0.08 0.00 1.31 0.00 0.00 55.95 56.92 2oq3 s SER 136 Cb 0.11 0.40 0.79 0.00 0.21 0.00 0.00 66.02 67.54 2oq3 s SER 136 CO 0.64 -0.76 1.78 -0.08 0.41 0.00 0.00 173.24 175.23 2oq3 h GLU 137 N 2.67 0.69 -0.67 12.44 4.81 -1.91 -1.62 114.58 130.99 2oq3 h GLU 137 Ca -0.34 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 58.93 2oq3 h GLU 137 Cb 1.22 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.41 2oq3 h GLU 137 CO 0.50 0.46 0.44 -0.22 -0.73 0.00 0.00 179.01 179.46 2oq3 h LYS 138 N 0.71 0.61 0.00 1.92 1.63 -1.98 -1.13 116.57 118.34 2oq3 h LYS 138 Ca 0.57 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 60.17 2oq3 h LYS 138 Cb 0.96 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 2oq3 h LYS 138 CO -0.36 0.41 -0.80 0.37 -3.45 0.00 0.00 179.45 175.61 2oq3 h GLN 139 N 0.63 0.00 0.03 1.90 5.75 -1.70 0.73 115.11 122.45 2oq3 h GLN 139 Ca 0.29 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.79 2oq3 h GLN 139 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 2oq3 h GLN 139 CO -0.09 0.75 -0.02 -0.07 -2.65 0.00 0.00 178.83 176.75 2oq3 h LEU 140 N 0.00 -0.04 -1.63 -2.39 3.38 -1.27 -2.85 115.31 110.51 2oq3 h LEU 140 Ca -0.02 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2oq3 h LEU 140 Cb 1.60 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.33 2oq3 h LEU 140 CO 0.10 0.28 0.37 0.00 0.09 0.00 0.00 178.44 179.28 2oq3 h ALA 141 N 0.61 1.95 -0.62 1.53 0.00 -1.19 -2.08 119.26 119.46 2oq3 h ALA 141 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 2oq3 h ALA 141 Cb 0.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2oq3 h ALA 141 CO 0.01 -0.06 0.28 0.22 0.00 0.00 0.00 179.25 179.70 2oq3 h ASP 142 N 0.44 0.84 -0.02 0.00 3.58 -0.73 0.26 116.42 120.78 2oq3 h ASP 142 Ca 0.25 -0.15 -0.13 0.00 0.42 0.00 0.00 57.03 57.43 2oq3 h ASP 142 Cb 0.41 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.24 2oq3 h ASP 142 CO -0.07 0.75 -0.38 0.40 -2.88 0.00 0.00 179.24 177.06 2oq3 h ILE 143 N 0.86 1.30 0.27 2.25 2.04 -1.16 -0.89 117.51 122.18 2oq3 h ILE 143 Ca 0.21 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.54 2oq3 h ILE 143 Cb 0.16 1.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.76 2oq3 h ILE 143 CO -0.02 0.48 -0.20 0.40 0.00 0.00 0.00 178.15 178.80 2oq3 h ILE 144 N 0.44 0.56 0.00 -0.67 1.08 -1.19 -3.13 117.51 114.60 2oq3 h ILE 144 Ca 0.04 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.48 2oq3 h ILE 144 Cb 0.86 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.17 2oq3 h ILE 144 CO 0.07 0.00 -0.14 0.28 -0.69 0.00 0.00 178.15 177.67 2oq3 h SER 145 N -0.48 0.00 -0.01 1.72 0.02 -0.33 -1.37 113.55 113.10 2oq3 h SER 145 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2oq3 h SER 145 Cb 0.42 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2oq3 h SER 145 CO -0.01 0.14 0.01 -0.09 -1.14 0.00 0.00 176.83 175.74 2oq3 h ARG 146 N 0.00 0.00 -0.01 3.45 2.43 -1.12 -3.47 114.38 115.66 2oq3 h ARG 146 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2oq3 h ARG 146 Cb 0.30 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2oq3 h ARG 146 CO 0.02 0.00 0.00 0.41 -1.51 0.00 0.00 179.97 178.89